CAS RN: 1948273-00-4
Benzenemethanamine, α-methyl-4-(4-methyl-5-thiazolyl)-, (αS)-
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250228 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1948273-00-4
- Purity/Analytical Methods: >99.0%
1948273-00-4 / (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
Basic Information
CAS
1948273-00-4
Multi CAS
No
Molecular Formula
C12H14N2S
Molecular Weight
218.320000
Exact Mass
218.087770
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)N
InChI
InChI=1S/C12H14N2S/c1-8(13)10-3-5-11(6-4-10)12-9(2)14-7-15-12/h3-8H,13H2,1-2H3/t8-/m0/s1
InChIKey
CNZNRMWCDRNGBO-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.89
TPSA
38.91
LogP / Solubility
WLOGP
3.14
MLOGP
2.76
XLogP3
2.3
Consensus LogP
2.73
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1948273-02-6 L-Prolinamide, 3-methyl-L-valyl-4-hydroxy-N-[(1S)-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1948273-02-6.gif)
![CAS 1948273-09-3 Acetic acid, 2-[3-(2-aminoethoxy)propoxy]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1948273-09-3.gif)
